445916

Source:http://linkedlifedata.com/resource/chembl/compound/445916

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+
chemicalCompound:standardIn...	QGNJRVVDBSJHIZ-QHLGVNSISA-N
chemicalCompound:canonicalS...	CC(=O)OC\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
chemicalCompound:molecularF...	C22H32O2
chemicalCompound:moleculeId	445916
chemicalCompound:mwFreebase	328.488
chemicalCompound:alogp	5.695
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	26.3
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	7.19
chemicalCompound:acdLogD	7.19
chemicalCompound:fullMwt	328.488
chemicalCompound:chemblId	CHEMBL486193
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:545916
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:32095
chemicalCompound:activity	activity:2176121, activity:3607839, activity:3657981, activity:3691569, activity:3698403, activity:3768676, activity:3773516, activity:3774748, activity:3778860, activity:3894558, activity:3902789, activity:3919665, activity:3927096, activity:3942312, activity:3951300, activity:3981335, activity:3983649, activity:4002689, activity:4037343, activity:4050723, activity:4106337, activity:4140724, activity:4143313, activity:4152498, activity:4291416, activity:4474105, activity:4480232, activity:4516608, activity:4670734, activity:4714041, activity:4723443, activity:4807957, activity:4868854, activity:4872820, activity:4896372, activity:4901563, activity:4902040, activity:4976452, activity:4980608, activity:5010126, activity:5019560, activity:5068964, activity:5078497, activity:5696005, activity:5710693, activity:6444128, activity:6447530, activity:6448772, activity:6448795, activity:6471559, activity:7042765, activity:7458039